N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide

C12H10ClNO4S2 — CID 18125828

IUPACN-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCO3)s1
InChIInChI=1S/C12H10ClNO4S2/c1-7-2-3-12(19-7)20(15,16)14-9-5-11-10(4-8(9)13)17-6-18-11/h2-5,14H,6H2,1H3
InChIKeyRDBWIDHYJJNNCM-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.24
Rot. Bonds3

About N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide

N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide (PubChem CID 18125828) has the molecular formula C12H10ClNO4S2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
PubChem CID18125828
Molecular FormulaC12H10ClNO4S2
Molecular Weight331.80 g/mol
Exact Mass330.97
IUPAC NameN-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCO3)s1
InChIInChI=1S/C12H10ClNO4S2/c1-7-2-3-12(19-7)20(15,16)14-9-5-11-10(4-8(9)13)17-6-18-11/h2-5,14H,6H2,1H3
InChIKeyRDBWIDHYJJNNCM-UHFFFAOYSA-N
XLogP3.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 43550425
N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 110777954
2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide
CID 60712774
N-(2-aminophenyl)-5-methylthiophene-2-sulfonamide
CID 28783373
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
N-(4-amino-2-methylphenyl)-5-methylthiophene-2-sulfonamide
CID 28783297
N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide
CID 75449103
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 42933754
N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide
CID 86870275
N-(4-bromo-2,5-difluorophenyl)-5-methylthiophene-2-sulfonamide
CID 103844041
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
2-bromo-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-methylbenzenesulfonamide
CID 35537941

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide (CID 18125828) is N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Cl)OCO3)s1.
What is the InChIKey of N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide?
The InChIKey is RDBWIDHYJJNNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4S2/c1-7-2-3-12(19-7)20(15,16)14-9-5-11-10(4-8(9)13)17-6-18-11/h2-5,14H,6H2,1H3.
What are the key properties of N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide?
N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide has a molecular weight of 331.80 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 18125828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).