N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide

C16H17N3O3S — CID 143022071

IUPACN-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide
SMILESO=Nc1cc(NS(=O)(=O)c2ccccc2)ccc1NCC1CC1
InChIInChI=1S/C16H17N3O3S/c20-18-16-10-13(8-9-15(16)17-11-12-6-7-12)19-23(21,22)14-4-2-1-3-5-14/h1-5,8-10,12,17,19H,6-7,11H2
InChIKeyKXUFENFHCDJSPN-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.71
Rot. Bonds7

About N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide

N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide (PubChem CID 143022071) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide
PubChem CID143022071
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide
SMILESO=Nc1cc(NS(=O)(=O)c2ccccc2)ccc1NCC1CC1
InChIInChI=1S/C16H17N3O3S/c20-18-16-10-13(8-9-15(16)17-11-12-6-7-12)19-23(21,22)14-4-2-1-3-5-14/h1-5,8-10,12,17,19H,6-7,11H2
InChIKeyKXUFENFHCDJSPN-UHFFFAOYSA-N
XLogP3.71
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide?
The IUPAC name of N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide (CID 143022071) is N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide is O=Nc1cc(NS(=O)(=O)c2ccccc2)ccc1NCC1CC1.
What is the InChIKey of N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide?
The InChIKey is KXUFENFHCDJSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-18-16-10-13(8-9-15(16)17-11-12-6-7-12)19-23(21,22)14-4-2-1-3-5-14/h1-5,8-10,12,17,19H,6-7,11H2.
What are the key properties of N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide?
N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylmethylamino)-3-nitrosophenyl]benzenesulfonamide is sourced from PubChem (CID 143022071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).