3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide

C17H16Cl2N2O2S — CID 3865491

IUPAC3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-11(6-12-10-20-17-5-3-2-4-16(12)17)21-24(22,23)15-8-13(18)7-14(19)9-15/h2-5,7-11,20-21H,6H2,1H3
InChIKeyQJYSVKVIDJLNSU-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.38
Rot. Bonds5

About 3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide

3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide (PubChem CID 3865491) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is 3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
PubChem CID3865491
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC Name3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2S/c1-11(6-12-10-20-17-5-3-2-4-16(12)17)21-24(22,23)15-8-13(18)7-14(19)9-15/h2-5,7-11,20-21H,6H2,1H3
InChIKeyQJYSVKVIDJLNSU-UHFFFAOYSA-N
XLogP4.38
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 216468
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CID 2737722
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CID 6918836
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CID 9902533
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CID 2475352
CID 2475352
CID 23655465
CID 23655465
CID 23757270
CID 23757270
CID 3775371
CID 3775371
CID 10356663
CID 10356663
CID 11677372
CID 11677372
CID 11723168
CID 11723168
CID 14571158
CID 14571158

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide (CID 3865491) is 3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide is CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is QJYSVKVIDJLNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c1-11(6-12-10-20-17-5-3-2-4-16(12)17)21-24(22,23)15-8-13(18)7-14(19)9-15/h2-5,7-11,20-21H,6H2,1H3.
What are the key properties of 3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 383.30 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 3865491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).