4-(aminomethyl)benzenesulfonamide

C7H10N2O2S — CID 3998

💊View drug profile → mafenide
IUPAC4-(aminomethyl)benzenesulfonamide
SMILESNCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKeyTYMRLRRVMHJFTF-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.21
Rot. Bonds2

About 4-(aminomethyl)benzenesulfonamide

4-(aminomethyl)benzenesulfonamide (PubChem CID 3998) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-(aminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)benzenesulfonamide
PubChem CID3998
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-(aminomethyl)benzenesulfonamide
SMILESNCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKeyTYMRLRRVMHJFTF-UHFFFAOYSA-N
XLogP-0.21
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mafenide Acetate
CID 25590
Mafenide Hydrochloride
CID 67313
N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
N-Methyl-p-toluenesulfonamide
CID 12543
N-Ethyl-p-toluenesulfonamide
CID 6637
4-(2-Aminoethyl)benzenesulfonamide
CID 169682
N-Butyl-p-toluenesulfonamide
CID 61285
p-Toluenesulfonamide, N-benzyl-
CID 95801
4-(2-Aminoethyl)Benzenesulfonyl Fluoride
CID 1701
Benzenesulfonamide, N-benzyl-
CID 95236
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
1,2-Benzoisothiazoline 1,1-dioxide
CID 13638

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)benzenesulfonamide (CID 3998) is 4-(aminomethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)benzenesulfonamide is NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(aminomethyl)benzenesulfonamide?
The InChIKey is TYMRLRRVMHJFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11).
What are the key properties of 4-(aminomethyl)benzenesulfonamide?
4-(aminomethyl)benzenesulfonamide has a molecular weight of 186.24 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)benzenesulfonamide is sourced from PubChem (CID 3998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).