N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide

C14H19BrN2O3S — CID 114295839

IUPACN-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CCC(Br)CC2)cc1
InChIInChI=1S/C14H19BrN2O3S/c1-10(18)16-12-6-8-14(9-7-12)21(19,20)17-13-4-2-11(15)3-5-13/h6-9,11,13,17H,2-5H2,1H3,(H,16,18)
InChIKeyYRKDGDVKJFYLLM-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.63
Rot. Bonds4

About N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide

N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide (PubChem CID 114295839) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
PubChem CID114295839
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC NameN-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CCC(Br)CC2)cc1
InChIInChI=1S/C14H19BrN2O3S/c1-10(18)16-12-6-8-14(9-7-12)21(19,20)17-13-4-2-11(15)3-5-13/h6-9,11,13,17H,2-5H2,1H3,(H,16,18)
InChIKeyYRKDGDVKJFYLLM-UHFFFAOYSA-N
XLogP2.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
N-[4-[(3-aminocyclobutyl)sulfamoyl]phenyl]acetamide
CID 43597864
N-[4-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]phenyl]acetamide
CID 27059218
N-[4-[[(3R)-piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 104645741
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
1-[4-(cyclopentylsulfamoyl)phenyl]-3-cyclopropylurea
CID 119045070
(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide
CID 61252074
N-[4-[[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]sulfamoyl]phenyl]acetamide
CID 67394155
N-[4-[(1-benzylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acetamide
CID 7195986
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-2-methoxypropanamide
CID 124730678
N-[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563915

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide (CID 114295839) is N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2CCC(Br)CC2)cc1.
What is the InChIKey of N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide?
The InChIKey is YRKDGDVKJFYLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-10(18)16-12-6-8-14(9-7-12)21(19,20)17-13-4-2-11(15)3-5-13/h6-9,11,13,17H,2-5H2,1H3,(H,16,18).
What are the key properties of N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide?
N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide has a molecular weight of 375.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 114295839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).