3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide

C15H17BrN2O4S2 — CID 26979142

IUPAC3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H17BrN2O4S2/c1-11-7-8-14(24(21,22)18(2)3)10-15(11)17-23(19,20)13-6-4-5-12(16)9-13/h4-10,17H,1-3H3
InChIKeyDYEWRFZQZKVCKJ-UHFFFAOYSA-N
MW433.35 g/mol
LogP2.81
Rot. Bonds5

About 3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide

3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide (PubChem CID 26979142) has the molecular formula C15H17BrN2O4S2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide
PubChem CID26979142
Molecular FormulaC15H17BrN2O4S2
Molecular Weight433.35 g/mol
Exact Mass431.98
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H17BrN2O4S2/c1-11-7-8-14(24(21,22)18(2)3)10-15(11)17-23(19,20)13-6-4-5-12(16)9-13/h4-10,17H,1-3H3
InChIKeyDYEWRFZQZKVCKJ-UHFFFAOYSA-N
XLogP2.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyanophenyl)sulfonylamino]-N,N-diethyl-4-methylbenzenesulfonamide
CID 4835973
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
3-[(5-bromo-2-methylphenyl)sulfamoyl]benzoic acid
CID 43715694
3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 134247443
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid
CID 43361881
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
CID 25331317
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide (CID 26979142) is 3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide?
The InChIKey is DYEWRFZQZKVCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O4S2/c1-11-7-8-14(24(21,22)18(2)3)10-15(11)17-23(19,20)13-6-4-5-12(16)9-13/h4-10,17H,1-3H3.
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide?
3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide has a molecular weight of 433.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 26979142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).