4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride

C21H28Cl2N3O4S- — CID 53314731

IUPAC4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride
SMILESCCN(CC)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1.[Cl-]
InChIInChI=1S/C21H28ClN3O4S.ClH/c1-4-25(5-2)14-8-13-23-21(26)16-11-12-17(22)20(15-16)30(27,28)24-18-9-6-7-10-19(18)29-3;/h6-7,9-12,15,24H,4-5,8,13-14H2,1-3H3,(H,23,26);1H/p-1
InChIKeyGVAVAJSRWFPVSX-UHFFFAOYSA-M
MW489.45 g/mol
LogP0.62
Rot. Bonds11

About 4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride

4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride (PubChem CID 53314731) has the molecular formula C21H28Cl2N3O4S- and a molecular weight of 489.45 g/mol. Its IUPAC name is 4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride.

Molecular Properties

Compound Name4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride
PubChem CID53314731
Molecular FormulaC21H28Cl2N3O4S-
Molecular Weight489.45 g/mol
Exact Mass488.12
IUPAC Name4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride
SMILESCCN(CC)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1.[Cl-]
InChIInChI=1S/C21H28ClN3O4S.ClH/c1-4-25(5-2)14-8-13-23-21(26)16-11-12-17(22)20(15-16)30(27,28)24-18-9-6-7-10-19(18)29-3;/h6-7,9-12,15,24H,4-5,8,13-14H2,1-3H3,(H,23,26);1H/p-1
InChIKeyGVAVAJSRWFPVSX-UHFFFAOYSA-M
XLogP0.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate
CID 31840810
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
4-chloro-N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46422535
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46525069
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26589777
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide
CID 55659385
2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 46556857
N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55947709

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride?
The IUPAC name of 4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride (CID 53314731) is 4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride.
What is the SMILES notation for 4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride?
The canonical SMILES for 4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride is CCN(CC)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1.[Cl-].
What is the InChIKey of 4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride?
The InChIKey is GVAVAJSRWFPVSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H28ClN3O4S.ClH/c1-4-25(5-2)14-8-13-23-21(26)16-11-12-17(22)20(15-16)30(27,28)24-18-9-6-7-10-19(18)29-3;/h6-7,9-12,15,24H,4-5,8,13-14H2,1-3H3,(H,23,26);1H/p-1.
What are the key properties of 4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride?
4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride has a molecular weight of 489.45 g/mol, XLogP of 0.62, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride is sourced from PubChem (CID 53314731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).