N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide

C17H18N2O3S2 — CID 172895059

IUPACN-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C1CSCCN1
InChIInChI=1S/C17H18N2O3S2/c20-17(16-12-23-11-10-18-16)19-13-6-8-15(9-7-13)24(21,22)14-4-2-1-3-5-14/h1-9,16,18H,10-12H2,(H,19,20)
InChIKeyTZLSOYGTXSFADD-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.16
Rot. Bonds4

About N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide

N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide (PubChem CID 172895059) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide
PubChem CID172895059
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C1CSCCN1
InChIInChI=1S/C17H18N2O3S2/c20-17(16-12-23-11-10-18-16)19-13-6-8-15(9-7-13)24(21,22)14-4-2-1-3-5-14/h1-9,16,18H,10-12H2,(H,19,20)
InChIKeyTZLSOYGTXSFADD-UHFFFAOYSA-N
XLogP2.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82905967
N-(4-phenylphenyl)thiomorpholine-3-carboxamide
CID 82896691
N-[4-(difluoromethylsulfonyl)phenyl]thiomorpholine-3-carboxamide
CID 82906170
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82908775
N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide
CID 82906459
N-pyridin-3-ylthiomorpholine-3-carboxamide
CID 82905944
N-(6-methyl-3-pyridinyl)thiomorpholine-3-carboxamide
CID 82917928
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
methyl 2-[4-(thiomorpholine-3-carbonylamino)phenoxy]acetate
CID 82906882
N-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43702511
N-(2-bromo-4-sulfamoylphenyl)thiomorpholine-3-carboxamide
CID 82908517

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide (CID 172895059) is N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)C1CSCCN1.
What is the InChIKey of N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide?
The InChIKey is TZLSOYGTXSFADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c20-17(16-12-23-11-10-18-16)19-13-6-8-15(9-7-13)24(21,22)14-4-2-1-3-5-14/h1-9,16,18H,10-12H2,(H,19,20).
What are the key properties of N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide?
N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)phenyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 172895059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).