1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride

C10H12ClNO2S — CID 84705466

IUPAC1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride
SMILESCC1Cc2cc(S(=O)(=O)Cl)ccc2N1C
InChIInChI=1S/C10H12ClNO2S/c1-7-5-8-6-9(15(11,13)14)3-4-10(8)12(7)2/h3-4,6-7H,5H2,1-2H3
InChIKeyKVMQPDYOHICDEL-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.99
Rot. Bonds1

About 1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride

1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride (PubChem CID 84705466) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride.

Molecular Properties

Compound Name1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride
PubChem CID84705466
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride
SMILESCC1Cc2cc(S(=O)(=O)Cl)ccc2N1C
InChIInChI=1S/C10H12ClNO2S/c1-7-5-8-6-9(15(11,13)14)3-4-10(8)12(7)2/h3-4,6-7H,5H2,1-2H3
InChIKeyKVMQPDYOHICDEL-UHFFFAOYSA-N
XLogP1.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-2,3-dihydroindole;4-methylbenzenesulfonic acid
CID 45358429
2-methyl-2,3-dihydro-1-benzothiophene-5-sulfonyl chloride
CID 84706772
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918356
2,4-dimethyl-2,3-dihydro-1,4-benzothiazine-7-sulfonyl chloride
CID 84615994
1-(1,2-dimethyl-2,3-dihydroindol-5-yl)propan-2-ol
CID 117203180
CID 174545323
CID 174545323
(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1253684
1,3-dimethyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 150677121
5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239520
(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918768
1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117203229
1-methyl-2,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 84709963

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride?
The IUPAC name of 1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride (CID 84705466) is 1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride.
What is the SMILES notation for 1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride?
The canonical SMILES for 1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride is CC1Cc2cc(S(=O)(=O)Cl)ccc2N1C.
What is the InChIKey of 1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride?
The InChIKey is KVMQPDYOHICDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-7-5-8-6-9(15(11,13)14)3-4-10(8)12(7)2/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride?
1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride has a molecular weight of 245.73 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2,3-dihydroindole-5-sulfonyl chloride is sourced from PubChem (CID 84705466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).