4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide

C17H26BrN3O3S — CID 126507636

IUPAC4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide
SMILESCCCCNC(=O)c1cc(S(N)(=O)=O)c(Br)cc1NC1CCCCC1
InChIInChI=1S/C17H26BrN3O3S/c1-2-3-9-20-17(22)13-10-16(25(19,23)24)14(18)11-15(13)21-12-7-5-4-6-8-12/h10-12,21H,2-9H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyALNLRWSQPFMDQS-UHFFFAOYSA-N
MW432.38 g/mol
LogP3.37
Rot. Bonds7

About 4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide

4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide (PubChem CID 126507636) has the molecular formula C17H26BrN3O3S and a molecular weight of 432.38 g/mol. Its IUPAC name is 4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide
PubChem CID126507636
Molecular FormulaC17H26BrN3O3S
Molecular Weight432.38 g/mol
Exact Mass431.09
IUPAC Name4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide
SMILESCCCCNC(=O)c1cc(S(N)(=O)=O)c(Br)cc1NC1CCCCC1
InChIInChI=1S/C17H26BrN3O3S/c1-2-3-9-20-17(22)13-10-16(25(19,23)24)14(18)11-15(13)21-12-7-5-4-6-8-12/h10-12,21H,2-9H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyALNLRWSQPFMDQS-UHFFFAOYSA-N
XLogP3.37
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-((benzylamino)sulfonyl)-4-bromo-N-(4-bromophenyl)benzamide
CID 1039737
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
CID 1328033
2-(benzylamino)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508113
4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1039736
4-bromo-N-phenyl-3-piperidin-1-ylsulfonylbenzamide
CID 1110928
N-(3-bromophenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1303094
N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 2116105
4-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7759992
N-(2-bromophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24982047
N-cyclohexyl-5-(N,N-dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzamide
CID 24978731
N-cyclopropyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 4824183
N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3-cyanobenzenesulfonamide
CID 25033309

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide (CID 126507636) is 4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide is CCCCNC(=O)c1cc(S(N)(=O)=O)c(Br)cc1NC1CCCCC1.
What is the InChIKey of 4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide?
The InChIKey is ALNLRWSQPFMDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O3S/c1-2-3-9-20-17(22)13-10-16(25(19,23)24)14(18)11-15(13)21-12-7-5-4-6-8-12/h10-12,21H,2-9H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of 4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide?
4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide has a molecular weight of 432.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide is sourced from PubChem (CID 126507636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).