4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride

C18H24ClN3O4S — CID 120832379

IUPAC4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-13(19-2)12-20-18(22)14-8-10-15(11-9-14)26(23,24)21-16-6-4-5-7-17(16)25-3;/h4-11,13,19,21H,12H2,1-3H3,(H,20,22);1H
InChIKeyYXNWZZAWJZEXGR-UHFFFAOYSA-N
MW413.93 g/mol
LogP2.26
Rot. Bonds8

About 4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride

4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 120832379) has the molecular formula C18H24ClN3O4S and a molecular weight of 413.93 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
PubChem CID120832379
Molecular FormulaC18H24ClN3O4S
Molecular Weight413.93 g/mol
Exact Mass413.12
IUPAC Name4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-13(19-2)12-20-18(22)14-8-10-15(11-9-14)26(23,24)21-16-6-4-5-7-17(16)25-3;/h4-11,13,19,21H,12H2,1-3H3,(H,20,22);1H
InChIKeyYXNWZZAWJZEXGR-UHFFFAOYSA-N
XLogP2.26
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56546673
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 26861429
N-[(2R)-2-(ethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 120653897
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 2687763
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291
4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861048
4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 30890199
N-[(3,5-difluorophenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 37391318
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26796078
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46462402
4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120650528

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride (CID 120832379) is 4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride is CNC(C)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1.Cl.
What is the InChIKey of 4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is YXNWZZAWJZEXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S.ClH/c1-13(19-2)12-20-18(22)14-8-10-15(11-9-14)26(23,24)21-16-6-4-5-7-17(16)25-3;/h4-11,13,19,21H,12H2,1-3H3,(H,20,22);1H.
What are the key properties of 4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride?
4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 413.93 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120832379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).