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

C14H17ClN2O2S2 — CID 106094666

IUPAC4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(CN)c(Cl)c2)s1
InChIInChI=1S/C14H17ClN2O2S2/c1-2-11-4-5-12(20-11)9-17-21(18,19)13-6-3-10(8-16)14(15)7-13/h3-7,17H,2,8-9,16H2,1H3
InChIKeyIWBVMUDCUABDBK-UHFFFAOYSA-N
MW344.89 g/mol
LogP2.90
Rot. Bonds6

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

4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 106094666) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID106094666
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(CN)c(Cl)c2)s1
InChIInChI=1S/C14H17ClN2O2S2/c1-2-11-4-5-12(20-11)9-17-21(18,19)13-6-3-10(8-16)14(15)7-13/h3-7,17H,2,8-9,16H2,1H3
InChIKeyIWBVMUDCUABDBK-UHFFFAOYSA-N
XLogP2.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 107091539
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006773
3-chloro-N,4-diethylbenzenesulfonamide
CID 165445797
4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106044385
2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006795
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106011806
4-(cyanomethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 103721070
3-chloro-4-ethyl-N-methylbenzenesulfonamide
CID 149042706
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 103721069
3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide
CID 107090660
4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 106070735

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide (CID 106094666) is 4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2ccc(CN)c(Cl)c2)s1.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is IWBVMUDCUABDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-2-11-4-5-12(20-11)9-17-21(18,19)13-6-3-10(8-16)14(15)7-13/h3-7,17H,2,8-9,16H2,1H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide?
4-(aminomethyl)-3-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 344.89 g/mol, XLogP of 2.90, 6 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-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106094666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).