4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide

C19H18ClNO3S — CID 4826401

IUPAC4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)ccc1Cl
InChIInChI=1S/C19H18ClNO3S/c1-12-10-14(7-8-17(12)20)25(22,23)21-13-6-9-19-16(11-13)15-4-2-3-5-18(15)24-19/h6-11,21H,2-5H2,1H3
InChIKeyMAXYQFBUJLCUKL-UHFFFAOYSA-N
MW375.88 g/mol
LogP5.07
Rot. Bonds3

About 4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide

4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide (PubChem CID 4826401) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
PubChem CID4826401
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)ccc1Cl
InChIInChI=1S/C19H18ClNO3S/c1-12-10-14(7-8-17(12)20)25(22,23)21-13-6-9-19-16(11-13)15-4-2-3-5-18(15)24-19/h6-11,21H,2-5H2,1H3
InChIKeyMAXYQFBUJLCUKL-UHFFFAOYSA-N
XLogP5.07
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.88
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 2873288
2,5-dimethyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 1184157
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide
CID 6620840
N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-propan-2-ylbenzenesulfonamide
CID 25044237
N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 70124119
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide
CID 113098713
4-tert-butyl-N-(7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 5045363
2,4,6-trimethyl-N-[(7S)-7-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7559471
N-[(8R)-8-tert-butyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,5-dichlorobenzenesulfonamide
CID 1183848

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide (CID 4826401) is 4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
The InChIKey is MAXYQFBUJLCUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-12-10-14(7-8-17(12)20)25(22,23)21-13-6-9-19-16(11-13)15-4-2-3-5-18(15)24-19/h6-11,21H,2-5H2,1H3.
What are the key properties of 4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide?
4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide has a molecular weight of 375.88 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 4826401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).