3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide

C13H19BrClNO2S — CID 106611794

IUPAC3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)CN(C(C)C)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H19BrClNO2S/c1-9(2)8-16(10(3)4)19(17,18)11-5-6-13(15)12(14)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyGXKSRDKXJKRKNS-UHFFFAOYSA-N
MW368.72 g/mol
LogP4.16
Rot. Bonds5

About 3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide

3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 106611794) has the molecular formula C13H19BrClNO2S and a molecular weight of 368.72 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID106611794
Molecular FormulaC13H19BrClNO2S
Molecular Weight368.72 g/mol
Exact Mass367.00
IUPAC Name3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)CN(C(C)C)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H19BrClNO2S/c1-9(2)8-16(10(3)4)19(17,18)11-5-6-13(15)12(14)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyGXKSRDKXJKRKNS-UHFFFAOYSA-N
XLogP4.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.72
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 106546875
3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 106545578
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
3-bromo-4-chloro-N-(7-methyloctyl)benzenesulfonamide
CID 106612008
3-bromo-4-chloro-N-[1-(diethylamino)propan-2-yl]benzenesulfonamide
CID 106612140
3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 106545645
2-iodo-5-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoic acid
CID 103962359
3-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-chlorobenzenesulfonamide
CID 106613118
3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzenesulfonamide
CID 23323135
2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide
CID 106546067
3-bromo-4-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 106611181

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide (CID 106611794) is 3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide is CC(C)CN(C(C)C)S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is GXKSRDKXJKRKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNO2S/c1-9(2)8-16(10(3)4)19(17,18)11-5-6-13(15)12(14)7-11/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide?
3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 368.72 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 106611794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).