N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide

C23H30N2O2S — CID 24886138

IUPACN-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCC3CC3)cc2)cc1
InChIInChI=1S/C23H30N2O2S/c1-18-3-2-15-25(18)16-14-19-6-8-21(9-7-19)22-10-12-23(13-11-22)28(26,27)24-17-20-4-5-20/h6-13,18,20,24H,2-5,14-17H2,1H3/t18-/m1/s1
InChIKeyCOTQUFSBYWGOIV-GOSISDBHSA-N
MW398.57 g/mol
LogP4.07
Rot. Bonds8

About N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide

N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide (PubChem CID 24886138) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
PubChem CID24886138
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC NameN-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCC3CC3)cc2)cc1
InChIInChI=1S/C23H30N2O2S/c1-18-3-2-15-25(18)16-14-19-6-8-21(9-7-19)22-10-12-23(13-11-22)28(26,27)24-17-20-4-5-20/h6-13,18,20,24H,2-5,14-17H2,1H3/t18-/m1/s1
InChIKeyCOTQUFSBYWGOIV-GOSISDBHSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide (CID 24886138) is N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide is C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCC3CC3)cc2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide?
The InChIKey is COTQUFSBYWGOIV-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-18-3-2-15-25(18)16-14-19-6-8-21(9-7-19)22-10-12-23(13-11-22)28(26,27)24-17-20-4-5-20/h6-13,18,20,24H,2-5,14-17H2,1H3/t18-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide?
N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide has a molecular weight of 398.57 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 24886138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).