2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride

C12H12ClNO3S — CID 172734792

IUPAC2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(OCC2CC2)[nH]c2ccccc12
InChIInChI=1S/C12H12ClNO3S/c13-18(15,16)11-9-3-1-2-4-10(9)14-12(11)17-7-8-5-6-8/h1-4,8,14H,5-7H2
InChIKeyIHAYSVNMXDRTFJ-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.88
Rot. Bonds4

About 2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride

2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride (PubChem CID 172734792) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride
PubChem CID172734792
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(OCC2CC2)[nH]c2ccccc12
InChIInChI=1S/C12H12ClNO3S/c13-18(15,16)11-9-3-1-2-4-10(9)14-12(11)17-7-8-5-6-8/h1-4,8,14H,5-7H2
InChIKeyIHAYSVNMXDRTFJ-UHFFFAOYSA-N
XLogP2.88
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethoxy)-9H-carbazole
CID 143672103
9H-carbazole;sulfuryl dichloride
CID 158008992
2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride
CID 84711266
3-(cyclopropylmethoxy)-1-methyl-9H-pyrido[3,4-b]indole
CID 175965401
4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one
CID 55222341
cyclopropylmethoxybenzene
CID 12712156
4-(cyclopentylmethoxy)benzenesulfonyl chloride
CID 61343179
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde
CID 115146211
N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-amine
CID 15289628
N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 19919970
(1-butylpiperidin-4-yl)methyl 2-(4-chlorobutoxy)-1H-indole-3-carboxylate
CID 10835943

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride?
The IUPAC name of 2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride (CID 172734792) is 2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride is O=S(=O)(Cl)c1c(OCC2CC2)[nH]c2ccccc12.
What is the InChIKey of 2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride?
The InChIKey is IHAYSVNMXDRTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c13-18(15,16)11-9-3-1-2-4-10(9)14-12(11)17-7-8-5-6-8/h1-4,8,14H,5-7H2.
What are the key properties of 2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride?
2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride has a molecular weight of 285.75 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 172734792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).