5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide

C18H19ClN2O4S — CID 68582257

IUPAC5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1[C@H](C)[C@H]1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-10-16(11-3-6-13(7-4-11)26(20,23)24)17(10)21-18(22)14-9-12(19)5-8-15(14)25-2/h3-10,16-17H,1-2H3,(H,21,22)(H2,20,23,24)/t10-,16+,17?/m1/s1
InChIKeyYPMWKGZYWRHGHM-VQAKUKRJSA-N
MW394.88 g/mol
LogP2.53
Rot. Bonds5

About 5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide

5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide (PubChem CID 68582257) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide
PubChem CID68582257
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1[C@H](C)[C@H]1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-10-16(11-3-6-13(7-4-11)26(20,23)24)17(10)21-18(22)14-9-12(19)5-8-15(14)25-2/h3-10,16-17H,1-2H3,(H,21,22)(H2,20,23,24)/t10-,16+,17?/m1/s1
InChIKeyYPMWKGZYWRHGHM-VQAKUKRJSA-N
XLogP2.53
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide
CID 25222733
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 4794585
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518351
N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide
CID 68582999
N-(2-aminocyclopropyl)-5-chloro-2-methoxybenzamide
CID 43593837
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide
CID 79698778
N-(2-chloro-4-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 55348812
cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678871
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
5-chloro-N'-(4-cyclohexylphenyl)sulfonyl-2-methoxybenzohydrazide
CID 8615574
N-(3-chloro-4-methoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7479079

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide (CID 68582257) is 5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide is COc1ccc(Cl)cc1C(=O)NC1[C@H](C)[C@H]1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide?
The InChIKey is YPMWKGZYWRHGHM-VQAKUKRJSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-10-16(11-3-6-13(7-4-11)26(20,23)24)17(10)21-18(22)14-9-12(19)5-8-15(14)25-2/h3-10,16-17H,1-2H3,(H,21,22)(H2,20,23,24)/t10-,16+,17?/m1/s1.
What are the key properties of 5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide?
5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide has a molecular weight of 394.88 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide is sourced from PubChem (CID 68582257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).