2-chloro-5-pyrrolidin-1-ylsulfonylaniline

C10H13ClN2O2S — CID 2963514

IUPAC2-chloro-5-pyrrolidin-1-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C10H13ClN2O2S/c11-9-4-3-8(7-10(9)12)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2
InChIKeyGOKCSPWMCMIFNZ-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.71
Rot. Bonds2

About 2-chloro-5-pyrrolidin-1-ylsulfonylaniline

2-chloro-5-pyrrolidin-1-ylsulfonylaniline (PubChem CID 2963514) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 2-chloro-5-pyrrolidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name2-chloro-5-pyrrolidin-1-ylsulfonylaniline
PubChem CID2963514
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name2-chloro-5-pyrrolidin-1-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C10H13ClN2O2S/c11-9-4-3-8(7-10(9)12)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2
InChIKeyGOKCSPWMCMIFNZ-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline
CID 63156801
2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline
CID 138985743
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930
1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol
CID 29048073
2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63157067
5-(azepan-1-ylsulfonyl)-2-pyrrolidin-1-ylaniline
CID 28796027
2-chloro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66391099
1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine
CID 146049122
5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloroaniline
CID 23120376
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212622
1-N-propyl-4-pyrrolidin-1-ylsulfonylbenzene-1,2-diamine
CID 3433369

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-pyrrolidin-1-ylsulfonylaniline?
The IUPAC name of 2-chloro-5-pyrrolidin-1-ylsulfonylaniline (CID 2963514) is 2-chloro-5-pyrrolidin-1-ylsulfonylaniline.
What is the SMILES notation for 2-chloro-5-pyrrolidin-1-ylsulfonylaniline?
The canonical SMILES for 2-chloro-5-pyrrolidin-1-ylsulfonylaniline is Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-pyrrolidin-1-ylsulfonylaniline?
The InChIKey is GOKCSPWMCMIFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-9-4-3-8(7-10(9)12)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2.
What are the key properties of 2-chloro-5-pyrrolidin-1-ylsulfonylaniline?
2-chloro-5-pyrrolidin-1-ylsulfonylaniline has a molecular weight of 260.75 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-pyrrolidin-1-ylsulfonylaniline is sourced from PubChem (CID 2963514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).