2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide

C13H21ClN4O2S — CID 61250547

IUPAC2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1cnc(Cl)nc1)N1CCCC1
InChIInChI=1S/C13H21ClN4O2S/c1-10(2)12(18-5-3-4-6-18)9-17-21(19,20)11-7-15-13(14)16-8-11/h7-8,10,12,17H,3-6,9H2,1-2H3
InChIKeyMQMGJUAJRLYCOY-UHFFFAOYSA-N
MW332.86 g/mol
LogP1.53
Rot. Bonds6

About 2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide

2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide (PubChem CID 61250547) has the molecular formula C13H21ClN4O2S and a molecular weight of 332.86 g/mol. Its IUPAC name is 2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide
PubChem CID61250547
Molecular FormulaC13H21ClN4O2S
Molecular Weight332.86 g/mol
Exact Mass332.11
IUPAC Name2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1cnc(Cl)nc1)N1CCCC1
InChIInChI=1S/C13H21ClN4O2S/c1-10(2)12(18-5-3-4-6-18)9-17-21(19,20)11-7-15-13(14)16-8-11/h7-8,10,12,17H,3-6,9H2,1-2H3
InChIKeyMQMGJUAJRLYCOY-UHFFFAOYSA-N
XLogP1.53
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 43456284
4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402904
2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide
CID 107856808
4-ethyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402911
6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 110301549
3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402917
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110402939
3-acetyl-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402958
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403191
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide
CID 106033837
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
CID 61045800

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide (CID 61250547) is 2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide is CC(C)C(CNS(=O)(=O)c1cnc(Cl)nc1)N1CCCC1.
What is the InChIKey of 2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide?
The InChIKey is MQMGJUAJRLYCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2S/c1-10(2)12(18-5-3-4-6-18)9-17-21(19,20)11-7-15-13(14)16-8-11/h7-8,10,12,17H,3-6,9H2,1-2H3.
What are the key properties of 2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide?
2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide has a molecular weight of 332.86 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 61250547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).