N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide

C31H29FN4O2S — CID 174494952

IUPACN-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(C=CN2CC=C(c3c[nH]c(-c4ccc(F)cc4)c3-c3ccncc3)CC2)cc1
InChIInChI=1S/C31H29FN4O2S/c32-26-5-3-25(4-6-26)31-30(24-11-16-33-17-12-24)29(21-34-31)23-14-19-36(20-15-23)18-13-22-1-9-28(10-2-22)39(37,38)35-27-7-8-27/h1-6,9-14,16-18,21,27,34-35H,7-8,15,19-20H2
InChIKeyZFJLNVSUBHSBRP-UHFFFAOYSA-N
MW540.66 g/mol
LogP6.08
Rot. Bonds8

About N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide

N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide (PubChem CID 174494952) has the molecular formula C31H29FN4O2S and a molecular weight of 540.66 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide
PubChem CID174494952
Molecular FormulaC31H29FN4O2S
Molecular Weight540.66 g/mol
Exact Mass540.20
IUPAC NameN-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(C=CN2CC=C(c3c[nH]c(-c4ccc(F)cc4)c3-c3ccncc3)CC2)cc1
InChIInChI=1S/C31H29FN4O2S/c32-26-5-3-25(4-6-26)31-30(24-11-16-33-17-12-24)29(21-34-31)23-14-19-36(20-15-23)18-13-22-1-9-28(10-2-22)39(37,38)35-27-7-8-27/h1-6,9-14,16-18,21,27,34-35H,7-8,15,19-20H2
InChIKeyZFJLNVSUBHSBRP-UHFFFAOYSA-N
XLogP6.08
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]-N-prop-2-enoxybenzenesulfonamide
CID 174509412
4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]-N-methylbenzenesulfonamide
CID 174494978
4-[2-(4-fluorophenyl)-4-[1-[2-(4-methylsulfonylphenyl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrol-3-yl]pyridine;hydrochloride
CID 23112066
4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 23112061
methyl 2-[[4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]phenyl]sulfonylamino]acetate
CID 23112020
4-[2-(4-fluorophenyl)-4-[1-[2-[4-(2-methoxyethylsulfonyl)phenyl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrol-3-yl]pyridine
CID 11410192
ethyl 4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzoate
CID 23112034
2-[[4-[2-[2-(4-fluorophenyl)-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethenyl]phenyl]sulfonylamino]acetic acid
CID 175245671
N-[1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-4-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 76743565
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-pyridin-4-ylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 58292025
7-(5-phenyl-4-pyridin-4-yl-1H-pyrrol-3-yl)-1,2,3,5,6,8a-hexahydroindolizine
CID 10132124
(8aS)-2-ethyl-7-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,5,6,8a-tetrahydroindolizine
CID 139935933

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide (CID 174494952) is N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(C=CN2CC=C(c3c[nH]c(-c4ccc(F)cc4)c3-c3ccncc3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide?
The InChIKey is ZFJLNVSUBHSBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN4O2S/c32-26-5-3-25(4-6-26)31-30(24-11-16-33-17-12-24)29(21-34-31)23-14-19-36(20-15-23)18-13-22-1-9-28(10-2-22)39(37,38)35-27-7-8-27/h1-6,9-14,16-18,21,27,34-35H,7-8,15,19-20H2.
What are the key properties of N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide?
N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide has a molecular weight of 540.66 g/mol, XLogP of 6.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethenyl]benzenesulfonamide is sourced from PubChem (CID 174494952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).