3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide

C17H15ClN2O4S — CID 11948688

IUPAC3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
SMILESO=C(NCCO)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H15ClN2O4S/c18-11-6-7-14-13(10-11)16(15(20-14)17(22)19-8-9-21)25(23,24)12-4-2-1-3-5-12/h1-7,10,20-21H,8-9H2,(H,19,22)
InChIKeyHFRVOQRRRDHBCD-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.38
Rot. Bonds5

About 3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide

3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide (PubChem CID 11948688) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
PubChem CID11948688
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
SMILESO=C(NCCO)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H15ClN2O4S/c18-11-6-7-14-13(10-11)16(15(20-14)17(22)19-8-9-21)25(23,24)12-4-2-1-3-5-12/h1-7,10,20-21H,8-9H2,(H,19,22)
InChIKeyHFRVOQRRRDHBCD-UHFFFAOYSA-N
XLogP2.38
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
The IUPAC name of 3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide (CID 11948688) is 3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide is O=C(NCCO)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
The InChIKey is HFRVOQRRRDHBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c18-11-6-7-14-13(10-11)16(15(20-14)17(22)19-8-9-21)25(23,24)12-4-2-1-3-5-12/h1-7,10,20-21H,8-9H2,(H,19,22).
What are the key properties of 3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide?
3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide has a molecular weight of 378.84 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 11948688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).