4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide

C14H19BrN2O3S — CID 103743847

IUPAC4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide
SMILESCC(C)C1(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C14H19BrN2O3S/c1-9(2)14(5-6-14)8-17-13(18)10-3-4-11(15)12(7-10)21(16,19)20/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyBNANIFPDDBVUJP-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.26
Rot. Bonds5

About 4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide

4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide (PubChem CID 103743847) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide
PubChem CID103743847
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide
SMILESCC(C)C1(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C14H19BrN2O3S/c1-9(2)14(5-6-14)8-17-13(18)10-3-4-11(15)12(7-10)21(16,19)20/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyBNANIFPDDBVUJP-UHFFFAOYSA-N
XLogP2.26
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-hydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103873707
4-bromo-N-[(1-methylcyclobutyl)methyl]-3-sulfamoylbenzamide
CID 113252067
4-bromo-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742462
4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 38768051
2-bromo-5-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103773778
4-amino-3-fluoro-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 114113741
4-amino-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide;hydrochloride
CID 119801690
2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 113252964
4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 65380192
4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 65387521
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-6-carboxamide
CID 103743848

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide (CID 103743847) is 4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide is CC(C)C1(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)CC1.
What is the InChIKey of 4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide?
The InChIKey is BNANIFPDDBVUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-9(2)14(5-6-14)8-17-13(18)10-3-4-11(15)12(7-10)21(16,19)20/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of 4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide?
4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide has a molecular weight of 375.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-propan-2-ylcyclopropyl)methyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 103743847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).