N-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide

C17H16ClNO2S2 — CID 23654700

IUPACN-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)Cc2ccccc2)sc2ccc(Cl)cc12
InChIInChI=1S/C17H16ClNO2S2/c1-12-15-10-14(18)8-9-16(15)22-17(12)23(20,21)19(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyFXKZAKZXDGKJAN-UHFFFAOYSA-N
MW365.91 g/mol
LogP4.68
Rot. Bonds4

About N-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide

N-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide (PubChem CID 23654700) has the molecular formula C17H16ClNO2S2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
PubChem CID23654700
Molecular FormulaC17H16ClNO2S2
Molecular Weight365.91 g/mol
Exact Mass365.03
IUPAC NameN-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)Cc2ccccc2)sc2ccc(Cl)cc12
InChIInChI=1S/C17H16ClNO2S2/c1-12-15-10-14(18)8-9-16(15)22-17(12)23(20,21)19(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyFXKZAKZXDGKJAN-UHFFFAOYSA-N
XLogP4.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of N-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide (CID 23654700) is N-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide is Cc1c(S(=O)(=O)N(C)Cc2ccccc2)sc2ccc(Cl)cc12.
What is the InChIKey of N-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide?
The InChIKey is FXKZAKZXDGKJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2S2/c1-12-15-10-14(18)8-9-16(15)22-17(12)23(20,21)19(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of N-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide?
N-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide has a molecular weight of 365.91 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 23654700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).