2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline

C10H13ClN2O3S2 — CID 113288420

IUPAC2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
SMILESNc1ccc(S(=O)(=O)N2CCS(=O)CC2)cc1Cl
InChIInChI=1S/C10H13ClN2O3S2/c11-9-7-8(1-2-10(9)12)18(15,16)13-3-5-17(14)6-4-13/h1-2,7H,3-6,12H2
InChIKeyJCKUTFNJWIQXSH-UHFFFAOYSA-N
MW308.81 g/mol
LogP0.68
Rot. Bonds2

About 2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline

2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline (PubChem CID 113288420) has the molecular formula C10H13ClN2O3S2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline.

Molecular Properties

Compound Name2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
PubChem CID113288420
Molecular FormulaC10H13ClN2O3S2
Molecular Weight308.81 g/mol
Exact Mass308.01
IUPAC Name2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
SMILESNc1ccc(S(=O)(=O)N2CCS(=O)CC2)cc1Cl
InChIInChI=1S/C10H13ClN2O3S2/c11-9-7-8(1-2-10(9)12)18(15,16)13-3-5-17(14)6-4-13/h1-2,7H,3-6,12H2
InChIKeyJCKUTFNJWIQXSH-UHFFFAOYSA-N
XLogP0.68
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 54977271
5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 62159105
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 115330063
2-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115330068
4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-2-chloroaniline
CID 114460480
2-chloro-5-pyrrolidin-1-ylsulfonylaniline
CID 2963514
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-2-chloroaniline
CID 115329759
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)sulfonylaniline
CID 115329975
4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide
CID 54975901
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylaniline
CID 115329743
1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one
CID 110721628
2-chloro-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 115330070

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
The IUPAC name of 2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline (CID 113288420) is 2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline.
What is the SMILES notation for 2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
The canonical SMILES for 2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline is Nc1ccc(S(=O)(=O)N2CCS(=O)CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
The InChIKey is JCKUTFNJWIQXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S2/c11-9-7-8(1-2-10(9)12)18(15,16)13-3-5-17(14)6-4-13/h1-2,7H,3-6,12H2.
What are the key properties of 2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline has a molecular weight of 308.81 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline is sourced from PubChem (CID 113288420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).