N-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide

C25H23FN2O4S — CID 129207787

IUPACN-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1ccc(F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccn1)C2
InChIInChI=1S/C25H23FN2O4S/c26-19-6-9-22(25(29)28-33(30,31)21-7-8-21)23(14-19)17-4-5-18-11-16(15-32-24(18)13-17)12-20-3-1-2-10-27-20/h1-6,9-10,13-14,16,21H,7-8,11-12,15H2,(H,28,29)/t16-/m0/s1
InChIKeySNVNAWABFNSWFX-INIZCTEOSA-N
MW466.53 g/mol
LogP3.90
Rot. Bonds6

About N-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide

N-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide (PubChem CID 129207787) has the molecular formula C25H23FN2O4S and a molecular weight of 466.53 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide
PubChem CID129207787
Molecular FormulaC25H23FN2O4S
Molecular Weight466.53 g/mol
Exact Mass466.14
IUPAC NameN-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide
SMILESO=C(NS(=O)(=O)C1CC1)c1ccc(F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccn1)C2
InChIInChI=1S/C25H23FN2O4S/c26-19-6-9-22(25(29)28-33(30,31)21-7-8-21)23(14-19)17-4-5-18-11-16(15-32-24(18)13-17)12-20-3-1-2-10-27-20/h1-6,9-10,13-14,16,21H,7-8,11-12,15H2,(H,28,29)/t16-/m0/s1
InChIKeySNVNAWABFNSWFX-INIZCTEOSA-N
XLogP3.90
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide?
The IUPAC name of N-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide (CID 129207787) is N-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide.
What is the SMILES notation for N-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide?
The canonical SMILES for N-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide is O=C(NS(=O)(=O)C1CC1)c1ccc(F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccn1)C2.
What is the InChIKey of N-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide?
The InChIKey is SNVNAWABFNSWFX-INIZCTEOSA-N. The full InChI is InChI=1S/C25H23FN2O4S/c26-19-6-9-22(25(29)28-33(30,31)21-7-8-21)23(14-19)17-4-5-18-11-16(15-32-24(18)13-17)12-20-3-1-2-10-27-20/h1-6,9-10,13-14,16,21H,7-8,11-12,15H2,(H,28,29)/t16-/m0/s1.
What are the key properties of N-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide?
N-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide has a molecular weight of 466.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-4-fluoro-2-[(3S)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzamide is sourced from PubChem (CID 129207787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).