N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide

C16H18ClN3O4S — CID 135310194

IUPACN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C16H18ClN3O4S/c1-9-14(15(17)20(2)18-9)25(22,23)19-16(21)12-8-7-11-10(12)5-4-6-13(11)24-3/h4-6,12H,7-8H2,1-3H3,(H,19,21)
InChIKeyUYMWOSOQRJEQRW-UHFFFAOYSA-N
MW383.86 g/mol
LogP1.93
Rot. Bonds4

About N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide

N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135310194) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135310194
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1cccc2c1CCC2C(=O)NS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C16H18ClN3O4S/c1-9-14(15(17)20(2)18-9)25(22,23)19-16(21)12-8-7-11-10(12)5-4-6-13(11)24-3/h4-6,12H,7-8H2,1-3H3,(H,19,21)
InChIKeyUYMWOSOQRJEQRW-UHFFFAOYSA-N
XLogP1.93
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide (CID 135310194) is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide is COc1cccc2c1CCC2C(=O)NS(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is UYMWOSOQRJEQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c1-9-14(15(17)20(2)18-9)25(22,23)19-16(21)12-8-7-11-10(12)5-4-6-13(11)24-3/h4-6,12H,7-8H2,1-3H3,(H,19,21).
What are the key properties of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide?
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 383.86 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135310194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).