N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide

C18H21ClN2O4S — CID 55599362

IUPACN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(OCC(C)C)c(Cl)c1
InChIInChI=1S/C18H21ClN2O4S/c1-11(2)10-25-17-7-5-13(8-16(17)19)21-18(22)15-9-14(26(20,23)24)6-4-12(15)3/h4-9,11H,10H2,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyAZGYMRYQYYMOTM-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.58
Rot. Bonds6

About N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide

N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide (PubChem CID 55599362) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide
PubChem CID55599362
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(OCC(C)C)c(Cl)c1
InChIInChI=1S/C18H21ClN2O4S/c1-11(2)10-25-17-7-5-13(8-16(17)19)21-18(22)15-9-14(26(20,23)24)6-4-12(15)3/h4-9,11H,10H2,1-3H3,(H,21,22)(H2,20,23,24)
InChIKeyAZGYMRYQYYMOTM-UHFFFAOYSA-N
XLogP3.58
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7479079
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034
N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide
CID 37408098
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide
CID 55846368
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 46600294
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide
CID 119956470
5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 17050839
3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119715601
N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46674398

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide (CID 55599362) is N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(OCC(C)C)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide?
The InChIKey is AZGYMRYQYYMOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-11(2)10-25-17-7-5-13(8-16(17)19)21-18(22)15-9-14(26(20,23)24)6-4-12(15)3/h4-9,11H,10H2,1-3H3,(H,21,22)(H2,20,23,24).
What are the key properties of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide?
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide has a molecular weight of 396.90 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 55599362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).