5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide

C10H12ClNO3S — CID 70516721

IUPAC5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
SMILESCC1(C)Cc2cc(Cl)cc(S(N)(=O)=O)c2O1
InChIInChI=1S/C10H12ClNO3S/c1-10(2)5-6-3-7(11)4-8(9(6)15-10)16(12,13)14/h3-4H,5H2,1-2H3,(H2,12,13,14)
InChIKeyWTVJQKXXISIUFH-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.70
Rot. Bonds1

About 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide

5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide (PubChem CID 70516721) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
PubChem CID70516721
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
SMILESCC1(C)Cc2cc(Cl)cc(S(N)(=O)=O)c2O1
InChIInChI=1S/C10H12ClNO3S/c1-10(2)5-6-3-7(11)4-8(9(6)15-10)16(12,13)14/h3-4H,5H2,1-2H3,(H2,12,13,14)
InChIKeyWTVJQKXXISIUFH-UHFFFAOYSA-N
XLogP1.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 13424180
5-Chloro-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
CID 75480629
6-Chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride
CID 141098005
5-chloro-N-(3-fluoropropyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 75454689
5-chloro-N-(2,2-difluoroethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 75520559
5-Chloro-2-methoxy-3-methylbenzenesulfonyl fluoride
CID 82292288
5-chloro-N-(2,2-difluoroethyl)-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 84600946
5-Chloro-2,3-dihydro-1-benzofuran-7-sulfonyl fluoride
CID 165461315
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
CID 13424179
5-Chloro-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-sulfonyl isocyanate
CID 71330591
5-chloro-2-methyl-N-(oxomethylidene)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 86113122
5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonic acid
CID 86113142

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide?
The IUPAC name of 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide (CID 70516721) is 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide?
The canonical SMILES for 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide is CC1(C)Cc2cc(Cl)cc(S(N)(=O)=O)c2O1.
What is the InChIKey of 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide?
The InChIKey is WTVJQKXXISIUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-10(2)5-6-3-7(11)4-8(9(6)15-10)16(12,13)14/h3-4H,5H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide?
5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide has a molecular weight of 261.73 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 70516721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).