3-chloro-4-(methylaminomethyl)benzenesulfonamide

C8H11ClN2O2S — CID 107091359

IUPAC3-chloro-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C8H11ClN2O2S/c1-11-5-6-2-3-7(4-8(6)9)14(10,12)13/h2-4,11H,5H2,1H3,(H2,10,12,13)
InChIKeyXMTPXKGOZNGIAI-UHFFFAOYSA-N
MW234.71 g/mol
LogP0.71
Rot. Bonds3

About 3-chloro-4-(methylaminomethyl)benzenesulfonamide

3-chloro-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 107091359) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 3-chloro-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(methylaminomethyl)benzenesulfonamide
PubChem CID107091359
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name3-chloro-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C8H11ClN2O2S/c1-11-5-6-2-3-7(4-8(6)9)14(10,12)13/h2-4,11H,5H2,1H3,(H2,10,12,13)
InChIKeyXMTPXKGOZNGIAI-UHFFFAOYSA-N
XLogP0.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 107091204
3-chloro-N-(4-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106060808
3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106061900
3-chloro-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031458
3-chloro-4-(methylaminomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 106046479
3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide
CID 107091648
1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 107091277
3-chloro-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 107091514
3-chloro-N-(1-methoxy-2-methylpropan-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 106080650
3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 107091667
3-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 107091383
3-chloro-N-methyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 107091254

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(methylaminomethyl)benzenesulfonamide (CID 107091359) is 3-chloro-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is XMTPXKGOZNGIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-11-5-6-2-3-7(4-8(6)9)14(10,12)13/h2-4,11H,5H2,1H3,(H2,10,12,13).
What are the key properties of 3-chloro-4-(methylaminomethyl)benzenesulfonamide?
3-chloro-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 234.71 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 107091359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).