4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C14H13ClN2O4S2 — CID 24511344

IUPAC4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)c2ccc(Cl)s2)c2ccccc2O1
InChIInChI=1S/C14H13ClN2O4S2/c1-16-14(18)11-8-17(9-4-2-3-5-10(9)21-11)23(19,20)13-7-6-12(15)22-13/h2-7,11H,8H2,1H3,(H,16,18)
InChIKeyQURFJXJDMFYSJO-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.10
Rot. Bonds3

About 4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 24511344) has the molecular formula C14H13ClN2O4S2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID24511344
Molecular FormulaC14H13ClN2O4S2
Molecular Weight372.86 g/mol
Exact Mass372.00
IUPAC Name4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)c2ccc(Cl)s2)c2ccccc2O1
InChIInChI=1S/C14H13ClN2O4S2/c1-16-14(18)11-8-17(9-4-2-3-5-10(9)21-11)23(19,20)13-7-6-12(15)22-13/h2-7,11H,8H2,1H3,(H,16,18)
InChIKeyQURFJXJDMFYSJO-UHFFFAOYSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 93490035
4-(4-fluorophenyl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 24511325
4-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46633632
(2S)-4-(4-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 26008329
4-(2,5-dimethoxyphenyl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 24511353
(2S)-4-(benzenesulfonyl)-N-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 95080050
(2R)-4-(benzenesulfonyl)-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 95080026
(2R)-N-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41178483
(2R)-N-cyclopropyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 28633393
(2S)-4-(2-chloroacetyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 25323366
(2R)-N-ethyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 93490049
4-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 53096495

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 24511344) is 4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CNC(=O)C1CN(S(=O)(=O)c2ccc(Cl)s2)c2ccccc2O1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is QURFJXJDMFYSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S2/c1-16-14(18)11-8-17(9-4-2-3-5-10(9)21-11)23(19,20)13-7-6-12(15)22-13/h2-7,11H,8H2,1H3,(H,16,18).
What are the key properties of 4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)sulfonyl-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 24511344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).