N-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide

C20H14ClNO4S — CID 112770498

IUPACN-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H14ClNO4S/c21-13-9-11-14(12-10-13)27(24,25)22-20(23)19-15-5-1-3-7-17(15)26-18-8-4-2-6-16(18)19/h1-12,19H,(H,22,23)
InChIKeyMMKFSFGNFPKZGP-UHFFFAOYSA-N
MW399.86 g/mol
LogP4.08
Rot. Bonds3

About N-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide

N-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide (PubChem CID 112770498) has the molecular formula C20H14ClNO4S and a molecular weight of 399.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide
PubChem CID112770498
Molecular FormulaC20H14ClNO4S
Molecular Weight399.86 g/mol
Exact Mass399.03
IUPAC NameN-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H14ClNO4S/c21-13-9-11-14(12-10-13)27(24,25)22-20(23)19-15-5-1-3-7-17(15)26-18-8-4-2-6-16(18)19/h1-12,19H,(H,22,23)
InChIKeyMMKFSFGNFPKZGP-UHFFFAOYSA-N
XLogP4.08
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide (CID 112770498) is N-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide?
The InChIKey is MMKFSFGNFPKZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO4S/c21-13-9-11-14(12-10-13)27(24,25)22-20(23)19-15-5-1-3-7-17(15)26-18-8-4-2-6-16(18)19/h1-12,19H,(H,22,23).
What are the key properties of N-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide?
N-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide has a molecular weight of 399.86 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 112770498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).