4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide

C19H18N2O3S — CID 110406911

IUPAC4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCc2c[nH]c3ccccc23)cc1)C1CC1
InChIInChI=1S/C19H18N2O3S/c22-19(13-5-6-13)14-7-9-16(10-8-14)25(23,24)21-12-15-11-20-18-4-2-1-3-17(15)18/h1-4,7-11,13,20-21H,5-6,12H2
InChIKeyHLIMQBOKRCRISB-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.24
Rot. Bonds6

About 4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide

4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide (PubChem CID 110406911) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide
PubChem CID110406911
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCc2c[nH]c3ccccc23)cc1)C1CC1
InChIInChI=1S/C19H18N2O3S/c22-19(13-5-6-13)14-7-9-16(10-8-14)25(23,24)21-12-15-11-20-18-4-2-1-3-17(15)18/h1-4,7-11,13,20-21H,5-6,12H2
InChIKeyHLIMQBOKRCRISB-UHFFFAOYSA-N
XLogP3.24
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202
N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109058300
4-[2-(1H-indol-3-yl)ethylsulfamoyl]-N-phenylbenzamide
CID 58615628
(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride
CID 13180278
1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 51332191
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 110394484
(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
CID 2211096
N'-[2-(1H-indol-3-yl)acetyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzohydrazide
CID 55351992
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 18107802
4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2737664
3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27644763

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide (CID 110406911) is 4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)NCc2c[nH]c3ccccc23)cc1)C1CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide?
The InChIKey is HLIMQBOKRCRISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-19(13-5-6-13)14-7-9-16(10-8-14)25(23,24)21-12-15-11-20-18-4-2-1-3-17(15)18/h1-4,7-11,13,20-21H,5-6,12H2.
What are the key properties of 4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide?
4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide has a molecular weight of 354.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-(1H-indol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110406911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).