N-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide

C19H20ClNO3S — CID 25183561

IUPACN-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide
SMILESCc1cc(Cl)ccc1C1=CC(C)(C)Oc2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C19H20ClNO3S/c1-12-9-13(20)5-7-15(12)17-11-19(2,3)24-18-10-14(6-8-16(17)18)21-25(4,22)23/h5-11,21H,1-4H3
InChIKeyGQVYNMHEUSCGJD-UHFFFAOYSA-N
MW377.89 g/mol
LogP4.62
Rot. Bonds3

About N-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide

N-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide (PubChem CID 25183561) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is N-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide
PubChem CID25183561
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC NameN-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide
SMILESCc1cc(Cl)ccc1C1=CC(C)(C)Oc2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C19H20ClNO3S/c1-12-9-13(20)5-7-15(12)17-11-19(2,3)24-18-10-14(6-8-16(17)18)21-25(4,22)23/h5-11,21H,1-4H3
InChIKeyGQVYNMHEUSCGJD-UHFFFAOYSA-N
XLogP4.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide?
The IUPAC name of N-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide (CID 25183561) is N-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide?
The canonical SMILES for N-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide is Cc1cc(Cl)ccc1C1=CC(C)(C)Oc2cc(NS(C)(=O)=O)ccc21.
What is the InChIKey of N-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide?
The InChIKey is GQVYNMHEUSCGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3S/c1-12-9-13(20)5-7-15(12)17-11-19(2,3)24-18-10-14(6-8-16(17)18)21-25(4,22)23/h5-11,21H,1-4H3.
What are the key properties of N-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide?
N-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide has a molecular weight of 377.89 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-2-methylphenyl)-2,2-dimethylchromen-7-yl]methanesulfonamide is sourced from PubChem (CID 25183561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).