3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide

C18H17Cl2N3O2S — CID 68991946

IUPAC3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ccn(N3CCCC3)c2c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H17Cl2N3O2S/c19-14-9-15(20)11-17(10-14)26(24,25)21-16-4-3-13-5-8-23(18(13)12-16)22-6-1-2-7-22/h3-5,8-12,21H,1-2,6-7H2
InChIKeyMIBCIZDJVGFASQ-UHFFFAOYSA-N
MW410.33 g/mol
LogP4.48
Rot. Bonds4

About 3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide

3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide (PubChem CID 68991946) has the molecular formula C18H17Cl2N3O2S and a molecular weight of 410.33 g/mol. Its IUPAC name is 3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide
PubChem CID68991946
Molecular FormulaC18H17Cl2N3O2S
Molecular Weight410.33 g/mol
Exact Mass409.04
IUPAC Name3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ccn(N3CCCC3)c2c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H17Cl2N3O2S/c19-14-9-15(20)11-17(10-14)26(24,25)21-16-4-3-13-5-8-23(18(13)12-16)22-6-1-2-7-22/h3-5,8-12,21H,1-2,6-7H2
InChIKeyMIBCIZDJVGFASQ-UHFFFAOYSA-N
XLogP4.48
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-amino-2-methylpropyl)indol-6-yl]-3,5-dichlorobenzenesulfonamide
CID 175373486
3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3856880
4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 45330209
N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide
CID 11166043
3,5-dichloro-N-(5-chloro-6-formylnaphthalen-2-yl)benzenesulfonamide
CID 87200093
6-[(3,5-dichlorophenyl)sulfonylamino]-N-(2-oxopropyl)naphthalene-2-carboxamide
CID 58496720
3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
CID 8603698
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864
N-cyclopropyl-6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindole-3-carboxamide
CID 59334894
3,5-dichloro-N-(1-pyridin-4-yl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 59277406
6-[(3,5-dichlorophenyl)sulfonylamino]-N,1-dimethylindazole-3-carboxamide
CID 59335153

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide (CID 68991946) is 3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2ccn(N3CCCC3)c2c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide?
The InChIKey is MIBCIZDJVGFASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2S/c19-14-9-15(20)11-17(10-14)26(24,25)21-16-4-3-13-5-8-23(18(13)12-16)22-6-1-2-7-22/h3-5,8-12,21H,1-2,6-7H2.
What are the key properties of 3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide?
3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide has a molecular weight of 410.33 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1-pyrrolidin-1-ylindol-6-yl)benzenesulfonamide is sourced from PubChem (CID 68991946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).