3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

C14H21BrN2O3S — CID 79118101

IUPAC3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C14H21BrN2O3S/c1-16-10-3-5-11(6-4-10)17-21(18,19)12-7-8-14(20-2)13(15)9-12/h7-11,16-17H,3-6H2,1-2H3
InChIKeyPLQTUCVRKLWHSV-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.27
Rot. Bonds5

About 3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide

3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (PubChem CID 79118101) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
PubChem CID79118101
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
SMILESCNC1CCC(NS(=O)(=O)c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C14H21BrN2O3S/c1-16-10-3-5-11(6-4-10)17-21(18,19)12-7-8-14(20-2)13(15)9-12/h7-11,16-17H,3-6H2,1-2H3
InChIKeyPLQTUCVRKLWHSV-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide
CID 62319082
3-bromo-N-(2-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
CID 62359246
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-bromo-4-methoxybenzenesulfonamide
CID 1092308
N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 22772433
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
3-bromo-4-methoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 43597234
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 119985927
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
N-[(3-bromo-4-methoxyphenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
CID 76879785
2-bromo-4-cyclobutylsulfonyl-1-methoxybenzene
CID 170744029
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide (CID 79118101) is 3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is CNC1CCC(NS(=O)(=O)c2ccc(OC)c(Br)c2)CC1.
What is the InChIKey of 3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is PLQTUCVRKLWHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-16-10-3-5-11(6-4-10)17-21(18,19)12-7-8-14(20-2)13(15)9-12/h7-11,16-17H,3-6H2,1-2H3.
What are the key properties of 3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide?
3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 79118101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).