(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide

C20H17ClF2N4O3S — CID 142433462

IUPAC(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide
SMILESCn1ccc(S(=O)(=O)N[C@H]2CCc3c(C(=O)Nc4ccc(F)c(Cl)c4)ccc(F)c32)n1
InChIInChI=1S/C20H17ClF2N4O3S/c1-27-9-8-18(25-27)31(29,30)26-17-7-4-12-13(3-6-16(23)19(12)17)20(28)24-11-2-5-15(22)14(21)10-11/h2-3,5-6,8-10,17,26H,4,7H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeyUFKITDYXRXNHQT-KRWDZBQOSA-N
MW466.90 g/mol
LogP3.57
Rot. Bonds5

About (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide

(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 142433462) has the molecular formula C20H17ClF2N4O3S and a molecular weight of 466.90 g/mol. Its IUPAC name is (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound Name(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID142433462
Molecular FormulaC20H17ClF2N4O3S
Molecular Weight466.90 g/mol
Exact Mass466.07
IUPAC Name(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide
SMILESCn1ccc(S(=O)(=O)N[C@H]2CCc3c(C(=O)Nc4ccc(F)c(Cl)c4)ccc(F)c32)n1
InChIInChI=1S/C20H17ClF2N4O3S/c1-27-9-8-18(25-27)31(29,30)26-17-7-4-12-13(3-6-16(23)19(12)17)20(28)24-11-2-5-15(22)14(21)10-11/h2-3,5-6,8-10,17,26H,4,7H2,1H3,(H,24,28)/t17-/m0/s1
InChIKeyUFKITDYXRXNHQT-KRWDZBQOSA-N
XLogP3.57
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide (CID 142433462) is (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide is Cn1ccc(S(=O)(=O)N[C@H]2CCc3c(C(=O)Nc4ccc(F)c(Cl)c4)ccc(F)c32)n1.
What is the InChIKey of (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is UFKITDYXRXNHQT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17ClF2N4O3S/c1-27-9-8-18(25-27)31(29,30)26-17-7-4-12-13(3-6-16(23)19(12)17)20(28)24-11-2-5-15(22)14(21)10-11/h2-3,5-6,8-10,17,26H,4,7H2,1H3,(H,24,28)/t17-/m0/s1.
What are the key properties of (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide?
(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 466.90 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(1-methylpyrazol-3-yl)sulfonylamino]-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 142433462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).