N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C20H21FN2O3S2 — CID 25195469

IUPACN-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCS2
InChIInChI=1S/C20H21FN2O3S2/c21-15-6-8-17(9-7-15)28(25,26)23-11-12-27-19-10-5-14(13-18(19)23)20(24)22-16-3-1-2-4-16/h5-10,13,16H,1-4,11-12H2,(H,22,24)
InChIKeyNGUIYPWMLCJSGN-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.80
Rot. Bonds4

About N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 25195469) has the molecular formula C20H21FN2O3S2 and a molecular weight of 420.53 g/mol. Its IUPAC name is N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID25195469
Molecular FormulaC20H21FN2O3S2
Molecular Weight420.53 g/mol
Exact Mass420.10
IUPAC NameN-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCS2
InChIInChI=1S/C20H21FN2O3S2/c21-15-6-8-17(9-7-15)28(25,26)23-11-12-27-19-10-5-14(13-18(19)23)20(24)22-16-3-1-2-4-16/h5-10,13,16H,1-4,11-12H2,(H,22,24)
InChIKeyNGUIYPWMLCJSGN-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 25195469) is N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is O=C(NC1CCCC1)c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCS2.
What is the InChIKey of N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is NGUIYPWMLCJSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S2/c21-15-6-8-17(9-7-15)28(25,26)23-11-12-27-19-10-5-14(13-18(19)23)20(24)22-16-3-1-2-4-16/h5-10,13,16H,1-4,11-12H2,(H,22,24).
What are the key properties of N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 25195469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).