4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide

C14H17ClN2O2S2 — CID 107091539

IUPAC4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(CN)c(Cl)c2)sc1C
InChIInChI=1S/C14H17ClN2O2S2/c1-9-5-12(20-10(9)2)8-17-21(18,19)13-4-3-11(7-16)14(15)6-13/h3-6,17H,7-8,16H2,1-2H3
InChIKeyUREBXXZXARENFC-UHFFFAOYSA-N
MW344.89 g/mol
LogP2.96
Rot. Bonds5

About 4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide

4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 107091539) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID107091539
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(CN)c(Cl)c2)sc1C
InChIInChI=1S/C14H17ClN2O2S2/c1-9-5-12(20-10(9)2)8-17-21(18,19)13-4-3-11(7-16)14(15)6-13/h3-6,17H,7-8,16H2,1-2H3
InChIKeyUREBXXZXARENFC-UHFFFAOYSA-N
XLogP2.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide (CID 107091539) is 4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccc(CN)c(Cl)c2)sc1C.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is UREBXXZXARENFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-9-5-12(20-10(9)2)8-17-21(18,19)13-4-3-11(7-16)14(15)6-13/h3-6,17H,7-8,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide?
4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 344.89 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 107091539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).