3-methylsulfonylbenzenesulfonamide;hydrochloride

C7H10ClNO4S2 — CID 172691071

IUPAC3-methylsulfonylbenzenesulfonamide;hydrochloride
SMILESCS(=O)(=O)c1cccc(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C7H9NO4S2.ClH/c1-13(9,10)6-3-2-4-7(5-6)14(8,11)12;/h2-5H,1H3,(H2,8,11,12);1H
InChIKeyBRMZTNDNWJLPGW-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.16
Rot. Bonds2

About 3-methylsulfonylbenzenesulfonamide;hydrochloride

3-methylsulfonylbenzenesulfonamide;hydrochloride (PubChem CID 172691071) has the molecular formula C7H10ClNO4S2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-methylsulfonylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methylsulfonylbenzenesulfonamide;hydrochloride
PubChem CID172691071
Molecular FormulaC7H10ClNO4S2
Molecular Weight271.75 g/mol
Exact Mass270.97
IUPAC Name3-methylsulfonylbenzenesulfonamide;hydrochloride
SMILESCS(=O)(=O)c1cccc(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C7H9NO4S2.ClH/c1-13(9,10)6-3-2-4-7(5-6)14(8,11)12;/h2-5H,1H3,(H2,8,11,12);1H
InChIKeyBRMZTNDNWJLPGW-UHFFFAOYSA-N
XLogP0.16
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzene-1,3-disulfonamide
CID 3090044
3-methylbenzenesulfonamide
CID 69347063
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
1-methylsulfonyl-3-propan-2-ylsulfonylbenzene
CID 12763283
3-iodobenzenesulfonamide
CID 11219806
3-N-methoxybenzene-1,3-disulfonamide
CID 60713608
3-methoxybenzenesulfonamide
CID 14763060
3-[(4-methylsulfonylphenyl)methylamino]benzenesulfonamide
CID 167770306
(1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344134
potassium 3-chlorobenzenesulfonamide
CID 19353487
ethane;N-hydroxy-3-methylsulfonylbenzenesulfonamide
CID 144672810
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-methylsulfonylbenzenesulfonamide;hydrochloride (CID 172691071) is 3-methylsulfonylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-methylsulfonylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-methylsulfonylbenzenesulfonamide;hydrochloride is CS(=O)(=O)c1cccc(S(N)(=O)=O)c1.Cl.
What is the InChIKey of 3-methylsulfonylbenzenesulfonamide;hydrochloride?
The InChIKey is BRMZTNDNWJLPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S2.ClH/c1-13(9,10)6-3-2-4-7(5-6)14(8,11)12;/h2-5H,1H3,(H2,8,11,12);1H.
What are the key properties of 3-methylsulfonylbenzenesulfonamide;hydrochloride?
3-methylsulfonylbenzenesulfonamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 172691071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).