4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide

C12H16BrClN2O3S — CID 81291212

IUPAC4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide
SMILESCCC(CC)NC(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H16BrClN2O3S/c1-3-8(4-2)16-12(17)7-5-9(14)11(13)10(6-7)20(15,18)19/h5-6,8H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeySADCZGRVTQAEHX-UHFFFAOYSA-N
MW383.70 g/mol
LogP2.67
Rot. Bonds5

About 4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide

4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide (PubChem CID 81291212) has the molecular formula C12H16BrClN2O3S and a molecular weight of 383.70 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide
PubChem CID81291212
Molecular FormulaC12H16BrClN2O3S
Molecular Weight383.70 g/mol
Exact Mass381.98
IUPAC Name4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide
SMILESCCC(CC)NC(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H16BrClN2O3S/c1-3-8(4-2)16-12(17)7-5-9(14)11(13)10(6-7)20(15,18)19/h5-6,8H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeySADCZGRVTQAEHX-UHFFFAOYSA-N
XLogP2.67
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65372770
3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375550
3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide
CID 81479852
propyl 4-bromo-3-chloro-5-sulfamoylbenzoate
CID 81295205
2,3,6-trichloro-N-pentan-3-yl-5-sulfamoylbenzamide
CID 65374079
4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide
CID 81295004
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide
CID 81291381
butyl 4-bromo-3-chloro-5-sulfamoylbenzoate
CID 81295306
4-bromo-2-chloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 65386333
5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide
CID 65373125
N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide
CID 114307803

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide (CID 81291212) is 4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide is CCC(CC)NC(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide?
The InChIKey is SADCZGRVTQAEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O3S/c1-3-8(4-2)16-12(17)7-5-9(14)11(13)10(6-7)20(15,18)19/h5-6,8H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide?
4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide has a molecular weight of 383.70 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 81291212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).