N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide

C18H17Cl2N3O4S — CID 19257569

IUPACN-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2N3O4S/c1-10(24)21-11-2-4-12(5-3-11)22-18(25)14-8-17(16(20)9-15(14)19)28(26,27)23-13-6-7-13/h2-5,8-9,13,23H,6-7H2,1H3,(H,21,24)(H,22,25)
InChIKeyWEXPJTOWQGDUDM-UHFFFAOYSA-N
MW442.32 g/mol
LogP3.64
Rot. Bonds6

About N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide

N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide (PubChem CID 19257569) has the molecular formula C18H17Cl2N3O4S and a molecular weight of 442.32 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
PubChem CID19257569
Molecular FormulaC18H17Cl2N3O4S
Molecular Weight442.32 g/mol
Exact Mass441.03
IUPAC NameN-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2N3O4S/c1-10(24)21-11-2-4-12(5-3-11)22-18(25)14-8-17(16(20)9-15(14)19)28(26,27)23-13-6-7-13/h2-5,8-9,13,23H,6-7H2,1H3,(H,21,24)(H,22,25)
InChIKeyWEXPJTOWQGDUDM-UHFFFAOYSA-N
XLogP3.64
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 5295477
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 19257463
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 19257437
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 30866994
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3,4-dimethoxyphenyl)benzamide
CID 19258290
2,4-dichloro-5-(cyclohexylsulfamoyl)-N-phenylbenzamide
CID 1356387
2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide
CID 5295479
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 24610777
2,4-dichloro-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(cyclopropylsulfamoyl)benzamide
CID 24680795
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-pyridin-3-ylbenzamide
CID 19257517
propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
CID 46574592
propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate
CID 56543666

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide (CID 19257569) is N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide is CC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide?
The InChIKey is WEXPJTOWQGDUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O4S/c1-10(24)21-11-2-4-12(5-3-11)22-18(25)14-8-17(16(20)9-15(14)19)28(26,27)23-13-6-7-13/h2-5,8-9,13,23H,6-7H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide?
N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide has a molecular weight of 442.32 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 19257569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).