N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide

C14H17ClN2O2S2 — CID 119986735

IUPACN-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide
SMILESCc1sc2ccc(Cl)cc2c1S(=O)(=O)NC(CN)C1CC1
InChIInChI=1S/C14H17ClN2O2S2/c1-8-14(11-6-10(15)4-5-13(11)20-8)21(18,19)17-12(7-16)9-2-3-9/h4-6,9,12,17H,2-3,7,16H2,1H3
InChIKeyWQEHOUNGVAGRNB-UHFFFAOYSA-N
MW344.89 g/mol
LogP2.88
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide

N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide (PubChem CID 119986735) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide
PubChem CID119986735
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide
SMILESCc1sc2ccc(Cl)cc2c1S(=O)(=O)NC(CN)C1CC1
InChIInChI=1S/C14H17ClN2O2S2/c1-8-14(11-6-10(15)4-5-13(11)20-8)21(18,19)17-12(7-16)9-2-3-9/h4-6,9,12,17H,2-3,7,16H2,1H3
InChIKeyWQEHOUNGVAGRNB-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide (CID 119986735) is N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide is Cc1sc2ccc(Cl)cc2c1S(=O)(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide?
The InChIKey is WQEHOUNGVAGRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-8-14(11-6-10(15)4-5-13(11)20-8)21(18,19)17-12(7-16)9-2-3-9/h4-6,9,12,17H,2-3,7,16H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide?
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide has a molecular weight of 344.89 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 119986735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).