5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide

C15H24BrNO2S — CID 63420895

IUPAC5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C15H24BrNO2S/c1-11(2)9-17(10-12(3)4)20(18,19)15-8-14(16)7-6-13(15)5/h6-8,11-12H,9-10H2,1-5H3
InChIKeySWGIWOPVVFSQSG-UHFFFAOYSA-N
MW362.33 g/mol
LogP4.06
Rot. Bonds6

About 5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide

5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide (PubChem CID 63420895) has the molecular formula C15H24BrNO2S and a molecular weight of 362.33 g/mol. Its IUPAC name is 5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
PubChem CID63420895
Molecular FormulaC15H24BrNO2S
Molecular Weight362.33 g/mol
Exact Mass361.07
IUPAC Name5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C15H24BrNO2S/c1-11(2)9-17(10-12(3)4)20(18,19)15-8-14(16)7-6-13(15)5/h6-8,11-12H,9-10H2,1-5H3
InChIKeySWGIWOPVVFSQSG-UHFFFAOYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[bis(2-methylpropyl)sulfamoyl]-4-bromophenyl]-5-bromobenzenesulfonamide
CID 66619301
5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
CID 62334094
2,5-dibromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61218146
ethyl 2-[(5-bromo-2-methylphenyl)sulfonyl-ethylamino]acetate
CID 61012540
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
2-amino-5-bromo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105712
5-bromo-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 61042574
5-bromo-N,2-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60660954
3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid
CID 43273604
2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115794
4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587401
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide (CID 63420895) is 5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
The InChIKey is SWGIWOPVVFSQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2S/c1-11(2)9-17(10-12(3)4)20(18,19)15-8-14(16)7-6-13(15)5/h6-8,11-12H,9-10H2,1-5H3.
What are the key properties of 5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide?
5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide has a molecular weight of 362.33 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 63420895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).