4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide

C20H22ClN3O4S — CID 55689415

IUPAC4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)CC(=O)N1c2ccccc2NC(=O)CC1C
InChIInChI=1S/C20H22ClN3O4S/c1-13-10-15(21)8-9-18(13)29(27,28)23(3)12-20(26)24-14(2)11-19(25)22-16-6-4-5-7-17(16)24/h4-10,14H,11-12H2,1-3H3,(H,22,25)
InChIKeyWCFIPDAQUCAIMP-UHFFFAOYSA-N
MW435.93 g/mol
LogP3.03
Rot. Bonds4

About 4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide

4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 55689415) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is 4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID55689415
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Name4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)CC(=O)N1c2ccccc2NC(=O)CC1C
InChIInChI=1S/C20H22ClN3O4S/c1-13-10-15(21)8-9-18(13)29(27,28)23(3)12-20(26)24-14(2)11-19(25)22-16-6-4-5-7-17(16)24/h4-10,14H,11-12H2,1-3H3,(H,22,25)
InChIKeyWCFIPDAQUCAIMP-UHFFFAOYSA-N
XLogP3.03
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 41332251
4-methoxy-N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]-2-nitrobenzenesulfonamide
CID 55511712
3-chloro-N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]benzamide
CID 40856134
(2R)-N-(4-chloro-2-fluorophenyl)-2-[methyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]propanamide
CID 129376861
5-chloro-2-methoxy-N-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125047772
5-[2-[2-hydroxyethyl(methyl)amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 56809358
4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 154736410
N-(2-chlorophenyl)-2-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]acetamide
CID 17494997
N,3-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzamide
CID 42927689
[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate
CID 46805913
N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 42281324
[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8624922

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide (CID 55689415) is 4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)N(C)CC(=O)N1c2ccccc2NC(=O)CC1C.
What is the InChIKey of 4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is WCFIPDAQUCAIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-13-10-15(21)8-9-18(13)29(27,28)23(3)12-20(26)24-14(2)11-19(25)22-16-6-4-5-7-17(16)24/h4-10,14H,11-12H2,1-3H3,(H,22,25).
What are the key properties of 4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide?
4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 435.93 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 55689415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).