1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide

C15H14BrClN2O4S2 — CID 60586163

IUPAC1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14BrClN2O4S2/c1-18-24(20,21)12-3-4-14-10(8-12)6-7-19(14)25(22,23)15-5-2-11(16)9-13(15)17/h2-5,8-9,18H,6-7H2,1H3
InChIKeyIWNMQVKOLKWKDV-UHFFFAOYSA-N
MW465.78 g/mol
LogP2.76
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide

1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 60586163) has the molecular formula C15H14BrClN2O4S2 and a molecular weight of 465.78 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID60586163
Molecular FormulaC15H14BrClN2O4S2
Molecular Weight465.78 g/mol
Exact Mass463.93
IUPAC Name1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14BrClN2O4S2/c1-18-24(20,21)12-3-4-14-10(8-12)6-7-19(14)25(22,23)15-5-2-11(16)9-13(15)17/h2-5,8-9,18H,6-7H2,1H3
InChIKeyIWNMQVKOLKWKDV-UHFFFAOYSA-N
XLogP2.76
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784424
1-(2-methoxyphenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784403
1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole
CID 32680566
N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 47784402
1-(3-fluorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784415
1-acetyl-N-(4-bromo-2-chlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 26488025
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78909287
6-[(6-bromo-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-chloro-3-methyl-1,3-benzoxazol-2-one
CID 17139177
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide
CID 19164457
3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 156599254
methyl 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylate
CID 55589959

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide (CID 60586163) is 1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is IWNMQVKOLKWKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O4S2/c1-18-24(20,21)12-3-4-14-10(8-12)6-7-19(14)25(22,23)15-5-2-11(16)9-13(15)17/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide?
1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 465.78 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 60586163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).