N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide

C10H10BrClN2O2S — CID 80704321

IUPACN-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NCCCBr)c1
InChIInChI=1S/C10H10BrClN2O2S/c11-4-1-5-14-17(15,16)10-6-8(7-13)2-3-9(10)12/h2-3,6,14H,1,4-5H2
InChIKeyMUAAFNWBZWXZPK-UHFFFAOYSA-N
MW337.63 g/mol
LogP2.27
Rot. Bonds5

About N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide

N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide (PubChem CID 80704321) has the molecular formula C10H10BrClN2O2S and a molecular weight of 337.63 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide
PubChem CID80704321
Molecular FormulaC10H10BrClN2O2S
Molecular Weight337.63 g/mol
Exact Mass335.93
IUPAC NameN-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NCCCBr)c1
InChIInChI=1S/C10H10BrClN2O2S/c11-4-1-5-14-17(15,16)10-6-8(7-13)2-3-9(10)12/h2-3,6,14H,1,4-5H2
InChIKeyMUAAFNWBZWXZPK-UHFFFAOYSA-N
XLogP2.27
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.63
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394
2-chloro-5-cyano-N-octylbenzenesulfonamide
CID 115568164
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011
2-chloro-5-cyano-N-hex-5-ynylbenzenesulfonamide
CID 104919304
2-chloro-5-cyano-N-(5-methylhexyl)benzenesulfonamide
CID 115325652
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
2-chloro-5-cyano-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 104918508
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-chloro-5-cyano-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 104918532
2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide
CID 80704539
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide
CID 80704391

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide?
The IUPAC name of N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide (CID 80704321) is N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)NCCCBr)c1.
What is the InChIKey of N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide?
The InChIKey is MUAAFNWBZWXZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O2S/c11-4-1-5-14-17(15,16)10-6-8(7-13)2-3-9(10)12/h2-3,6,14H,1,4-5H2.
What are the key properties of N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide?
N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide has a molecular weight of 337.63 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide is sourced from PubChem (CID 80704321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).