N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide

C14H20ClN3O2S — CID 82823552

IUPACN-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC2CCN3CCCC23)c1
InChIInChI=1S/C14H20ClN3O2S/c1-21(19,20)17-10-4-5-11(15)13(9-10)16-12-6-8-18-7-2-3-14(12)18/h4-5,9,12,14,16-17H,2-3,6-8H2,1H3
InChIKeyOOZQOYVLQRWQQC-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.36
Rot. Bonds4

About N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide

N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide (PubChem CID 82823552) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide
PubChem CID82823552
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC NameN-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(NC2CCN3CCCC23)c1
InChIInChI=1S/C14H20ClN3O2S/c1-21(19,20)17-10-4-5-11(15)13(9-10)16-12-6-8-18-7-2-3-14(12)18/h4-5,9,12,14,16-17H,2-3,6-8H2,1H3
InChIKeyOOZQOYVLQRWQQC-UHFFFAOYSA-N
XLogP2.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide with MolForge

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Related Compounds

N-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)-4-chlorophenyl]methanesulfonamide
CID 105364063
N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide
CID 43708204
N-(3,4-dichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853706
N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853439
N-(2-chloro-5-nitrophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853205
2-chloro-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)benzoic acid
CID 62945893
N-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylphenyl]propanamide
CID 82823652
N-(3-chloro-4-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853996
N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 103584698
N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide
CID 65070285
N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide
CID 62999677
N-(3-chloro-4-nitrophenyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 82863100

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide (CID 82823552) is N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Cl)c(NC2CCN3CCCC23)c1.
What is the InChIKey of N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide?
The InChIKey is OOZQOYVLQRWQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c1-21(19,20)17-10-4-5-11(15)13(9-10)16-12-6-8-18-7-2-3-14(12)18/h4-5,9,12,14,16-17H,2-3,6-8H2,1H3.
What are the key properties of N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide?
N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide has a molecular weight of 329.85 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 82823552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).