N-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide

C33H24N4O4S2 — CID 134143711

IUPACN-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3[nH]2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C33H24N4O4S2/c38-42(39,29-16-11-22-5-1-3-7-25(22)19-29)36-27-13-9-24(10-14-27)33-34-31-18-15-28(21-32(31)35-33)37-43(40,41)30-17-12-23-6-2-4-8-26(23)20-30/h1-21,36-37H,(H,34,35)
InChIKeySCVWSOAMWJCBHO-UHFFFAOYSA-N
MW604.71 g/mol
LogP7.14
Rot. Bonds7

About N-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide

N-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide (PubChem CID 134143711) has the molecular formula C33H24N4O4S2 and a molecular weight of 604.71 g/mol. Its IUPAC name is N-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide
PubChem CID134143711
Molecular FormulaC33H24N4O4S2
Molecular Weight604.71 g/mol
Exact Mass604.12
IUPAC NameN-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3[nH]2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C33H24N4O4S2/c38-42(39,29-16-11-22-5-1-3-7-25(22)19-29)36-27-13-9-24(10-14-27)33-34-31-18-15-28(21-32(31)35-33)37-43(40,41)30-17-12-23-6-2-4-8-26(23)20-30/h1-21,36-37H,(H,34,35)
InChIKeySCVWSOAMWJCBHO-UHFFFAOYSA-N
XLogP7.14
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 57.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide (CID 134143711) is N-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(-c2nc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3[nH]2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide?
The InChIKey is SCVWSOAMWJCBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4O4S2/c38-42(39,29-16-11-22-5-1-3-7-25(22)19-29)36-27-13-9-24(10-14-27)33-34-31-18-15-28(21-32(31)35-33)37-43(40,41)30-17-12-23-6-2-4-8-26(23)20-30/h1-21,36-37H,(H,34,35).
What are the key properties of N-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide?
N-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide has a molecular weight of 604.71 g/mol, XLogP of 7.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(naphthalen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 134143711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).